4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine

• ChemBase ID: 309807
• Molecular Formular: C10H12N4S
• Molecular Mass: 220.29408
• Monoisotopic Mass: 220.0782674
• SMILES: c1(c(sc(c1)C)C)c1nc(ncc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cc(sc1C)C
• InChI: InChI=1S/C10H12N4S/c1-6-5-8(7(2)15-6)9-3-4-12-10(13-9)14-11/h3-5H,11H2,1-2H3,(H,12,13,14)
• InChIKey: MCNGZYOEQGDHHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine
• IUPAC Traditional name: 4-(2,5-dimethylthiophen-3-yl)-2-hydrazinylpyrimidine
• Synonyms: 4-(2,5-dimethyl-3-thienyl)-2-hydrazinopyrimidine

Database IDs

• MDL Number: MFCD18917080

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9486883
• LogD (pH = 7.4): 3.2204087
• Log P: 3.2254033
• Molar Refractivity: 64.3576 cm^3
• Polarizability: 24.229315 Å^3
• Polar Surface Area: 63.83 Å^2